5-Amino-1,3-dimethyl-1,2-dihydropyridin-2-one

HCID 67456616

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Grundinformationen

CAS: 1013643-17-8
Standard-SMILES: Cc1cc(N)cn(C)c1=O
InChIKey: FRVNECZIBLUFEV-UHFFFAOYSA-N
Summenformel: C7H10N2O
Durchschnittliche Molmasse: 138,17 g/mol
Monoisotopische Masse: 138,07931295

Namen und Bezeichner

Bevorzugter Name: 5-Amino-1,3-dimethyl-1,2-dihydropyridin-2-one
IUPAC: 5-amino-1,3-dimethylpyridin-2-one
Englischer Name: 5-aMino-1,3-diMethylpyridin-2(1H)-one
Summenformel: C7H10N2O
Molmasse: 138.17

Namen und Synonyme

1013643-17-85-amino-1,3-dimethyl-1,2-dihydropyridin-2-oneRefChem:531953830-407-65-amino-1,3-dimethylpyridin-2(1H)-one5-amino-1,3-dimethylpyridin-2-one5-?AMINO-?1,?3-?DIMETHYLPYRIDIN-?2(1H)?-?ONE5-Amino-1,3-dimethyl-2(1H)-pyridinoneSCHEMBL2571045FRVNECZIBLUFEV-UHFFFAOYSA-NNQB64317MFCD22392137

Weitere Namen anzeigen

2(1H)-Pyridinone, 5-amino-1,3-dimethyl-

5-amino-1,3-dimethyl-pyridin-2-oneAKOS0240159405-Amino-1,3-dimethyl-1H-pyridin-2-oneDB-139536CS-0308232EN300-111858F472117A1-22714

Datenbank-Bezeichner

CAS: 1013643-17-8
PubChem CID: 67456616
EC Number: 830-407-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 261.7 · 261.7±29.0 °C(Predicted)
Dichte: 1.113 · 1.113±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 4.62 · 4.62±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.